3,3-Dihydroxy-2-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one

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Basic information

CAS: 1603-44-7
Standard SMILES: COc1ccc(C2(OC)Oc3ccccc3C(=O)C2(O)O)cc1
InChIKey: MUWFMAGTDJWRSG-UHFFFAOYSA-N
Molecular formula: C17H16O6
Average molar mass: 316.3 g/mol
Monoisotopic mass: 316.09468823

Names & identifiers

Preferred name: 3,3-Dihydroxy-2-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one
IUPAC: 3,3-dihydroxy-2-methoxy-2-(4-methoxyphenyl)chromen-4-one

Names & synonyms

1603-44-78OQU011SBL3,3-Dihydroxy-2-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-oneNSC102035UNII-8OQU011SBLNSC 102035NSC-1020352,3-Dihydro-3,3-dihydroxy-2-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-oneCHEMBL4854684H-1-Benzopyran-4-one,2,3-dihydro-3,3-dihydroxy-2-methoxy-2-(4-methoxyphenyl)-DS-0150573,3-DIHYDROXY-2,4'-DIMETHOXY-, FLAVANONE

Show more names

FLAVANONE, 3,3-DIHYDROXY-2,4'-DIMETHOXY-3,3-dihydroxy-2-methoxy-2-(4-methoxyphenyl)chroman-4-one4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-3,3-DIHYDROXY-2-METHOXY-2-(4-METHOXYPHENYL)-

Database identifiers

CAS: 1603-44-7
PubChem CID: 265704
ChEMBL: CHEMBL485468
UNII: 8OQU011SBL

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 85.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 442

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Compound notes

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